2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid

C15H19NO3 — CID 117121168

IUPAC2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid
SMILESCOc1ccc2c(c1)c(C(C)C(=O)O)cn2C(C)C
InChIInChI=1S/C15H19NO3/c1-9(2)16-8-13(10(3)15(17)18)12-7-11(19-4)5-6-14(12)16/h5-10H,1-4H3,(H,17,18)
InChIKeyTZYBIPFQGLDWAJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.42
Rot. Bonds4

About 2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid

2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid (PubChem CID 117121168) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid
PubChem CID117121168
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid
SMILESCOc1ccc2c(c1)c(C(C)C(=O)O)cn2C(C)C
InChIInChI=1S/C15H19NO3/c1-9(2)16-8-13(10(3)15(17)18)12-7-11(19-4)5-6-14(12)16/h5-10H,1-4H3,(H,17,18)
InChIKeyTZYBIPFQGLDWAJ-UHFFFAOYSA-N
XLogP3.42
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid
CID 117122339
2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid
CID 117122158
N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide
CID 86078316
2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid
CID 131855492
3-(6-methoxy-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid
CID 117122358
3-(5-methoxy-1-propan-2-ylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881645
2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117321879
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
1-(5-methoxy-1-propylindol-3-yl)ethanol
CID 83944528

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid?
The IUPAC name of 2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid (CID 117121168) is 2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid.
What is the SMILES notation for 2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid?
The canonical SMILES for 2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid is COc1ccc2c(c1)c(C(C)C(=O)O)cn2C(C)C.
What is the InChIKey of 2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid?
The InChIKey is TZYBIPFQGLDWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9(2)16-8-13(10(3)15(17)18)12-7-11(19-4)5-6-14(12)16/h5-10H,1-4H3,(H,17,18).
What are the key properties of 2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid?
2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid is sourced from PubChem (CID 117121168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).